Geometry & MOs

Info

ID:	341213
PubChem CID:	127263648
Reduced:	N2F3H7C9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	261.078819
ΔH_f, kcal/mol:	-124.72
Dipole, Da:	5.29
IP(EA), eV:	-8.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,8-difluoro-2-azabicyclo[5.1.0]octane;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1=CNC2=CC(=CC(=C21)C(F)(F)F)N

DOS

IR

Vibrations